N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)benzenesulfonamide

• ChemBase ID: 568098
• Molecular Formular: C28H31NO5S
• Molecular Mass: 493.61444
• Monoisotopic Mass: 493.1922941
• SMILES: S(=O)(=O)(N(CC1OCCC1)Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(S(=O)(=O)c1ccccc1)CC1CCCO1
• InChI: InChI=1S/C28H31NO5S/c1-32-28-16-21(13-14-27(28)34-25-17-22-8-5-6-9-23(22)18-25)19-29(20-24-10-7-15-33-24)35(30,31)26-11-3-2-4-12-26/h2-6,8-9,11-14,16,24-25H,7,10,15,17-20H2,1H3
• InChIKey: NGTAYCJNBGJBPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)benzenesulfonamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)benzenesulfonamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.9671383
• LogD (pH = 7.4): 4.9671383
• Log P: 4.9671383
• Molar Refractivity: 136.1504 cm^3
• Polarizability: 53.630276 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.4
• LOG S: -5.68
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7